General Information of the Compound
| Compound ID |
CP0393490
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| Compound Name |
[(2R)-1-[[4-[2-methyl-3-(2-methylpropyl)benzimidazol-5-yl]phenyl]methyl]pyrrolidin-2-yl]methanol
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| Structure |
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| Formula |
C24H31N3O
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| Molecular Weight |
377.532
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| Canonical SMILES |
CC(C)Cn1c(C)nc2ccc(cc12)-c1ccc(CN2CCC[C@@H]2CO)cc1
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| InChI |
InChI=1S/C24H31N3O/c1-17(2)14-27-18(3)25-23-11-10-21(13-24(23)27)20-8-6-19(7-9-20)15-26-12-4-5-22(26)16-28/h6-11,13,17,22,28H,4-5,12,14-16H2,1-3H3/t22-/m1/s1
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| InChIKey |
JWDYUYAEXSMGCJ-JOCHJYFZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound